Glycoside
...
GD122423

Name:
None

Formula:
C51H55O25

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)OCC1OC(OC2C(OC3=C(c4ccc(O)cc4)OC4C=C(O)C=C(OC5OC(C[OH2+])C(O)C(O)C5O)C4=C3)OC(COC(=O)C=Cc3ccc(O)cc3)C(O)C2O)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(O)c1.COC(=O)C=Cc1ccc(O)cc1.OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1

Sugarmoiety:
OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 25 RingCount: 8
HBD: 15 FractionCSP3: 0.37
AlogP: -1.44 Num_rotatable_bonds: 16
MolWt: 1067.98 Num_heavy_atoms: 76
TPSA: 403.1 NumAromaticRings: 3

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD03431
Formula: C10H10O4

Smiles:
COC(=O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 2 FractionCSP3: 0.1
AlogP: 1.28 Num_rotatable_bonds: 2
MolWt: 194.19 Num_heavy_atoms: 14
TPSA: 66.76 NumAromaticRings: 1
AD45989
Formula: C15H12O5

Smiles:
OC1=CC2OC(c3ccc(O)cc3)=C(O)C=C2C(O)=C1
HBA: 5 RingCount: 3
HBD: 4 FractionCSP3: 0.07
AlogP: 2.84 Num_rotatable_bonds: 1
MolWt: 272.26 Num_heavy_atoms: 20
TPSA: 90.15 NumAromaticRings: 1

Sugarmoiety
SD04881

OC1OC(C[OH2+])C(O)C(O)C1O.OC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O